(4-nitrophenyl)methyl 3-butylsulfanyl-6-ethyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-butylsulfanyl-6-ethyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-butylsulfanyl-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(butylthio)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-butylsulfanyl-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(butylthio)-6-ethyl-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C20H24N2O5S MolecularWeight: 404.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(N2C(C1)C(C2=O)CC)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=C(N2C(C1)C(C2=O)CC)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O5S/c1-3-5-10-28-17-11-16-15(4-2)19(23)21(16)18(17)20(24)27-12-13-6-8-14(9-7-13)22(25)26/h6-9,15-16H,3-5,10-12H2,1-2H3